SCHEMBL9317792

SCHEMBL9317792

C=C(CCCNC(=O)CCl)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FAAH O00519 2/20 0.38
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP2 P42575 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TBXAS1 P24557 1/20 0.33
NAAA Q02083 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRMT1 Q99873 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1011841 0.81 ALOX15 (0.35) ATMTBXAS1ALOX15HSD17B10PRMT1
SCHEMBL4596050 0.81 MEN1 (0.38) ALDH1A1SMN1; SMN2FAAHTSHRATM
SCHEMBL8995190 0.81 TSHR (0.49) SMN1; SMN2TSHRATMMEN1KMT2A
SCHEMBL23794425 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRATMMEN1
SCHEMBL378843 0.78 KDM4E (0.54) ALDH1A1TSHRL3MBTL1TBXAS1KDM4E
SCHEMBL472248 0.78 TBXAS1 (0.33) ATMTBXAS1ALOX15HSD17B10PRMT1
SCHEMBL1091793 0.76 CASP2 (0.52) FAAHTSHRMEN1KMT2ACASP2
SCHEMBL5830059 0.75 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2FAAHTSHRMEN1
SCHEMBL11127833 0.75 ALDH1A1 (0.94) ALDH1A1SMN1; SMN2FAAHTSHRMEN1
SCHEMBL13504177 0.74 EPHX1 (0.50) TSHRMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419652-B1 POLYMERIC ELECTROPHORESIS MEDIA EASTMAN KODAK CO (US) 1994-01-05 EP claimed